(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene

C18H22N4 — CID 123256247

IUPAC(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
SMILESCc1ccc(/N=N/N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-15-3-7-17(8-4-15)19-20-22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b20-19+
InChIKeyKQDNRFYSPRDXOK-FMQUCBEESA-N
MW294.40 g/mol
LogP4.12
Rot. Bonds3

About (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene

(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene (PubChem CID 123256247) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
PubChem CID123256247
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
SMILESCc1ccc(/N=N/N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-15-3-7-17(8-4-15)19-20-22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b20-19+
InChIKeyKQDNRFYSPRDXOK-FMQUCBEESA-N
XLogP4.12
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
CID 71258841
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
methyl 4-[[4-(4-acetylphenyl)piperazin-1-yl]diazenyl]benzoate
CID 71258470
[2-methyl-4-[(4-methylphenyl)diazenyl]piperazin-1-yl]-(4-methylphenyl)diazene
CID 102083511
(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
CID 71259441
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
bis(4-methylphenyl)diazene
CID 10389
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene?
The IUPAC name of (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene (CID 123256247) is (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene.
What is the SMILES notation for (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene?
The canonical SMILES for (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene is Cc1ccc(/N=N/N2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene?
The InChIKey is KQDNRFYSPRDXOK-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N4/c1-15-3-7-17(8-4-15)19-20-22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b20-19+.
What are the key properties of (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene?
(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene has a molecular weight of 294.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene is sourced from PubChem (CID 123256247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).